N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine

C54H35N3S — CID 177077852

IUPACN-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)cc32)cc1
InChIInChI=1S/C54H35N3S/c1-3-14-38(15-4-1)56-48-22-11-8-20-46(48)54-49(23-13-24-50(54)56)55(41-31-33-45-44-19-9-12-25-52(44)58-53(45)35-41)40-29-26-36(27-30-40)37-28-32-43-42-18-7-10-21-47(42)57(51(43)34-37)39-16-5-2-6-17-39/h1-35H
InChIKeyGAKWKBIWNKKCOB-UHFFFAOYSA-N
MW757.96 g/mol
LogP15.39
Rot. Bonds6

About N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine

N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine (PubChem CID 177077852) has the molecular formula C54H35N3S and a molecular weight of 757.96 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine
PubChem CID177077852
Molecular FormulaC54H35N3S
Molecular Weight757.96 g/mol
Exact Mass757.26
IUPAC NameN-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)cc32)cc1
InChIInChI=1S/C54H35N3S/c1-3-14-38(15-4-1)56-48-22-11-8-20-46(48)54-49(23-13-24-50(54)56)55(41-31-33-45-44-19-9-12-25-52(44)58-53(45)35-41)40-29-26-36(27-30-40)37-28-32-43-42-18-7-10-21-47(42)57(51(43)34-37)39-16-5-2-6-17-39/h1-35H
InChIKeyGAKWKBIWNKKCOB-UHFFFAOYSA-N
XLogP15.39
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.96
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 158726355
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine
CID 129085135
N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 129085119
N-dibenzothiophen-3-yl-6-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-4-amine
CID 168814330
N,N-bis(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 160770802
3-N-(8-dibenzothiophen-3-yldibenzothiophen-3-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 157137830
N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286393
N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine
CID 145430526
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635
N-[4-[3-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 118505674
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine
CID 170041989

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine?
The IUPAC name of N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine (CID 177077852) is N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)cc32)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine?
The InChIKey is GAKWKBIWNKKCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3S/c1-3-14-38(15-4-1)56-48-22-11-8-20-46(48)54-49(23-13-24-50(54)56)55(41-31-33-45-44-19-9-12-25-52(44)58-53(45)35-41)40-29-26-36(27-30-40)37-28-32-43-42-18-7-10-21-47(42)57(51(43)34-37)39-16-5-2-6-17-39/h1-35H.
What are the key properties of N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine?
N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine has a molecular weight of 757.96 g/mol, XLogP of 15.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine is sourced from PubChem (CID 177077852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).